Manganese in PDB 2wqp: Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex

The structure of Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex, PDB code: 2wqp was solved by F.Liu, H.J.Lee, N.C.J.Strynadka, M.E.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.619, 75.744, 77.361, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.6

The binding sites of Manganese atom in the Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex (pdb code 2wqp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex, PDB code: 2wqp:

Manganese binding site 1 out of 1 in the Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1351 b:19.7 occ:0.50 NE2 A:HIS215 2.1 7.0 1.0 O A:HOH2312 2.2 30.6 1.0 OAC A:WQP1350 2.2 15.2 1.0 NE2 A:HIS236 2.4 14.0 1.0 OAW A:WQP1350 2.6 13.2 1.0 CE1 A:HIS215 3.0 7.0 1.0 O A:HOH2193 3.2 18.8 1.0 CD2 A:HIS236 3.2 11.8 1.0 CD2 A:HIS215 3.2 8.9 1.0 PAD A:WQP1350 3.4 15.8 1.0 CE1 A:HIS236 3.5 12.5 1.0 CAN A:WQP1350 3.5 15.7 1.0 CAP A:WQP1350 3.6 13.0 1.0 OAH A:WQP1350 3.8 14.1 1.0 OE2 A:GLU234 4.0 12.7 1.0 OG A:SER213 4.0 6.4 1.0 OAA A:WQP1350 4.0 15.8 1.0 CAO A:WQP1350 4.0 14.3 1.0 ND1 A:HIS215 4.1 8.6 1.0 CG A:HIS215 4.3 5.6 1.0 CG A:HIS236 4.4 8.9 1.0 CE2 A:TYR186 4.5 10.0 1.0 ND1 A:HIS236 4.5 11.4 1.0 OH A:TYR186 4.5 11.4 1.0 O A:HOH2203 4.5 18.8 1.0 OE1 A:GLU25 4.5 14.7 1.0 OAE A:WQP1350 4.7 13.1 1.0 CAM A:WQP1350 4.7 15.6 1.0 CG A:GLU25 4.8 10.6 1.0 CAQ A:WQP1350 4.9 12.2 1.0

F.Liu, H.J.Lee, N.C.J.Strynadka, M.E.Tanner. The Inhibition of Neisseria Meningitidis Sialic Acid Synthase By A Tetrahedral Intermediate Analog. Biochemistry V. 48 9194 2009.
ISSN: ISSN 0006-2960
PubMed: 19719325
DOI: 10.1021/BI9012758